Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T39698 Target Info
Target Name NIMA-related kinase 7 (NEK7)
Synonyms Serine/threonine-protein kinase Nek7; NimA-related protein kinase 7; Never in mitosis A-related kinase 7
Target Type Literature-reported Target
Gene Name NEK7
UniProt ID
NEK7_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: adenosine diphosphate Ligand Info
Structure Description Structure of ADP-bound human Nek7 PDB:2WQN
Method X-ray diffraction Resolution 2.30 Å Mutation No [1]
PDB Sequence
ALRPDMGYNT
30
LANFRIEKKI
40
GRGQFSEVYR
50
AACLLDGVPV
60
ALKKVQIFDL
70

MDAKARADCI
80
KEIDLLKQLN
90
HPNVIKYYAS
100
FIEDNELNIV
110
LELADAGDLS
120

RMIKHFKKQK
130
RLIPERTVWK
140
YFVQLCSALE
150
HMHSRRVMHR
160
DIKPANVFIT
170

ATGVVKLGDL
180
TPYYMSPERI
208
HENGYNFKSD
218
IWSLGCLLYE
228
MAALQSPFYM
241

NLYSLCKKIE
251
QCDYPPLPSD
261
HYSEELRQLV
271
NMCINPDPEK
281
RPDVTYVYDV
291

AKRMHACTA
Residue
Distance (Å)
ILE40
3.771
GLY41
4.048
ARG42
3.963
GLY43
2.873
GLN44
2.835
PHE45
3.201
SER46
3.176
VAL48
3.427
ALA61
3.529
Residue
Distance (Å)
LYS63
3.276
ILE95
4.341
LEU111
3.871
GLU112
2.897
LEU113
3.903
ALA114
3.132
ASP115
4.741
PHE168
4.218
ASP179
2.986
Ligand Name: 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide Ligand Info
Structure Description Crystal structure of Nek7 bound to compound 51 PDB:6S75
Method X-ray diffraction Resolution 3.30 Å Mutation No [2]
PDB Sequence
QKALRPDMGY
28
NTLANFRIEK
38
KIGRGQFSEV
48
YRAACLLDGV
58
PVALKKVQIF
68

DLMDAKARAD
78
CIKEIDLLKQ
88
LNHPNVIKYY
98
ASFIEDNELN
108
IVLELADAGD
118

LSRMIKHFKK
128
QKRLIPERTV
138
WKYFVQLCSA
148
LEHMHSRRVM
158
HRDIKPANVF
168

ITATGVVKLG
178
DLGLGTPYYM
203
SPERIHENGY
213
NFKSDIWSLG
223
CLLYEMAALQ
233

SPFYGDKMNL
243
YSLCKKIEQC
253
DYPPLPSDHY
263
SEELRQLVNM
273
CINPDPEKRP
283

DVTYVYDVAK
293
RMHACTA
Residue
Distance (Å)
ILE40
3.398
GLY41
2.284
ARG42
2.272
GLY43
4.298
SER46
4.528
VAL48
2.233
ARG50
4.258
ALA61
3.582
ILE95
2.914
LEU111
3.282
GLU112
3.050
Residue
Distance (Å)
LEU113
3.181
ALA114
2.188
ASP115
3.929
ALA116
4.460
GLY117
3.896
ASP118
3.885
ALA165
3.026
ASN166
3.501
PHE168
2.127
LEU180
3.884
Click to View More Binding Site Information of This Target and Ligand Pair
References  Top
REF 1 An autoinhibitory tyrosine motif in the cell-cycle-regulated Nek7 kinase is released through binding of Nek9. Mol Cell. 2009 Nov 25;36(4):560-70.
REF 2 Nek7 conformational flexibility and inhibitor binding probed through protein engineering of the R-spine. Biochem J. 2020 Apr 30;477(8):1525-1539.

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